CID 131093241

1,2,5-triazaspiro[2.3]hex-1-ene hydrochloride

Structural Information

Molecular Formula
C3H5N3
SMILES
C1C2(CN1)N=N2
InChI
InChI=1S/C3H5N3/c1-3(2-4-1)5-6-3/h4H,1-2H2
InChIKey
IIXVKZFWLNYVIC-UHFFFAOYSA-N
Compound name
1,2,5-triazaspiro[2.3]hex-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

83.04835 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.055626 123.2
[M+Na]+ 106.037568 133.4
[M-H]- 82.041074 124.9
[M+NH4]+ 101.082173 133.8
[M+K]+ 122.011508 134.2
[M+H-H2O]+ 66.045610 112.1
[M+HCOO]- 128.046551 142.7
[M+CH3COO]- 142.062201 166.9
[M+Na-2H]- 104.023016 133.6
[M]+ 83.04780142 131.4
[M]- 83.04889858 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.